Geometry & MOs

Info

ID:	339698
PubChem CID:	127261700
Reduced:	NOC6H8 (2)
Stoich.:	ABC6D8 (2)
Weight, g/mol:	262.070205
ΔH_f, kcal/mol:	-47.56
Dipole, Da:	4.0
IP(EA), eV:	-9.38(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[(E)-[cyano-(4-nitrophenyl)methylidene]amino]carbamate

Drug info:

PubChemData

Smile

CC/C(=N\NC(=O)OC)/CC1=CC=CC=C1

DOS

IR

Vibrations